CID 21678911

1,1,1,2,2,3,3-heptafluorododecane

Structural Information

Molecular Formula
C12H19F7
SMILES
CCCCCCCCCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H19F7/c1-2-3-4-5-6-7-8-9-10(13,14)11(15,16)12(17,18)19/h2-9H2,1H3
InChIKey
GCGLJPKSBPQKMM-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluorododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

296.1375 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14478 165.2
[M+Na]+ 319.12672 171.6
[M-H]- 295.13022 155.9
[M+NH4]+ 314.17132 180.4
[M+K]+ 335.10066 168.2
[M+H-H2O]+ 279.13476 154.8
[M+HCOO]- 341.13570 174.7
[M+CH3COO]- 355.15135 206.0
[M+Na-2H]- 317.11217 166.9
[M]+ 296.13695 157.6
[M]- 296.13805 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe